7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole

C12H11N3O2S — CID 66710942

IUPAC7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole
SMILESCOc1ccc2c(c1)cc1cnc(S(C)=O)nn12
InChIInChI=1S/C12H11N3O2S/c1-17-10-3-4-11-8(6-10)5-9-7-13-12(18(2)16)14-15(9)11/h3-7H,1-2H3
InChIKeyLGIXVZQKLVVMAG-UHFFFAOYSA-N
MW261.31 g/mol
LogP1.63
Rot. Bonds2

About 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole

7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole (PubChem CID 66710942) has the molecular formula C12H11N3O2S and a molecular weight of 261.31 g/mol. Its IUPAC name is 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole.

Molecular Properties

Compound Name7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole
PubChem CID66710942
Molecular FormulaC12H11N3O2S
Molecular Weight261.31 g/mol
Exact Mass261.06
IUPAC Name7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole
SMILESCOc1ccc2c(c1)cc1cnc(S(C)=O)nn12
InChIInChI=1S/C12H11N3O2S/c1-17-10-3-4-11-8(6-10)5-9-7-13-12(18(2)16)14-15(9)11/h3-7H,1-2H3
InChIKeyLGIXVZQKLVVMAG-UHFFFAOYSA-N
XLogP1.63
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Esomeprazole Sodium
CID 23674541
Omeprazole Sodium
CID 10959536
Esomeprazole Potassium
CID 23672364
6-(3-Methoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 620319
8-Methoxy-5-methyl-3-methylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
CID 649707
2-Methoxy-6-[1-methyl-5-(trifluoromethoxy)indol-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
CID 134137936
3-(3-Ethoxyphenyl)imidazo[1,2-b]pyridazine
CID 46944150
3-(3-Methoxyphenyl)imidazo[1,2-b]pyridazine
CID 49790940
US9018217, 2-[4-(3-Methoxy-phenyl)-1-methyl-1H-imidazol-2-ylmethylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 44546756
US9018217, 2-[4-(3-Methoxy-phenyl)-1-methyl-1H-imidazol-2-ylmethylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66636121
2-(3-Methoxyphenyl)-6-propylsulfanylimidazo[1,2-b]pyridazine
CID 9971967
{11H-1,2,4-Triazolo[4',3':2,3]pyridazino[4,5-b]indole,} 8-methoxy-
CID 135429957

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole?
The IUPAC name of 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole (CID 66710942) is 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole.
What is the SMILES notation for 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole?
The canonical SMILES for 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole is COc1ccc2c(c1)cc1cnc(S(C)=O)nn12.
What is the InChIKey of 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole?
The InChIKey is LGIXVZQKLVVMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S/c1-17-10-3-4-11-8(6-10)5-9-7-13-12(18(2)16)14-15(9)11/h3-7H,1-2H3.
What are the key properties of 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole?
7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole has a molecular weight of 261.31 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methylsulfinyl-[1,2,4]triazino[1,6-a]indole is sourced from PubChem (CID 66710942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).